CID 14458503

123131-67-9

Structural Information

Molecular Formula

C₅H₆F₂O₂

SMILES

C1C(C1(F)F)CC(=O)O

InChI

InChI=1S/C5H6F2O2/c6-5(7)2-3(5)1-4(8)9/h3H,1-2H2,(H,8,9)

InChIKey

MBRBTSNTUSHGFC-UHFFFAOYSA-N

Compound name

2-(2,2-difluorocyclopropyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 136.03358 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	137.04086	119.6
[M+Na]+	159.02280	130.3
[M-H]-	135.02630	121.2
[M+NH4]+	154.06740	137.9
[M+K]+	174.99674	128.7
[M+H-H2O]+	119.03084	114.2
[M+HCOO]-	181.03178	139.9
[M+CH3COO]-	195.04743	173.7
[M+Na-2H]-	157.00825	125.7
[M]+	136.03303	120.0
[M]-	136.03413	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe